D419-0195 Screening compound: 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-3-yl)acetamide

D419-0195 Screening compound: 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-3-yl)acetamide
D419-0195 Screening compound: 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D419-0195
2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-3-yl)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D419-0195

Molecular Formula

C22H19N5OS (C22 H19 N5 OS)

Compound Name

2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-3-yl)acetamide

IUPAC name

2-{[5-(4-methylphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-N-(pyridin-3-yl)acetamide

SMILES

Cc(cc1)ccc1-c(n1-c2ccccc2)nnc1SCC(Nc1cnccc1)=O

InChI

InChI=1S/C22H19N5OS/c1-16-9-11-17(12-10-16)21-25-26-22(27(21)19-7-3-2-4-8-19)29-15-20(28)24-18-6-5-13-23-14-18/h2-14H,15H2,1H3,(H,24,28)

InChI Key

FJAUVJRJSQAIOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.013

Distribution Coefficient, logD

4.012

Water Solubility, LogSw

-3.86

Polar Surface Area

57.380

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D419-0195 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D419-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D419-0195?
Check Price and Availability of D419-0195, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D419-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D419-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D419-0195
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D419-0195 available by request